SCHEMBL563300

SCHEMBL563300

CCCCCn1c(N)nc(=O)c2[nH]cnc21

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 9/20 0.63
PNP P00491 2/20 0.56
PDE4A P27815 14/20 0.56
PDE4B Q07343 14/20 0.56
PDE4C Q08493 14/20 0.56
PDE4D Q08499 14/20 0.56
ADORA2A P29274 12/20 0.56
ADORA3 P0DMS8 2/20 0.48
HPGD P15428 1/20 0.48
ADORA1 P30542 1/20 0.48
BLM P54132 1/20 0.48
PDE3A Q14432 1/20 0.48
HSD17B10 Q99714 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6035390 0.84 PNP (0.63) ADORA2BPNPPDE4APDE4BPDE4C
SCHEMBL562099 0.83 ADORA2B (0.59) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL8522275 0.80 ADORA2B (0.61) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL8536009 0.78 ADORA2B (0.64) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL6272301 0.78 ADORA2B (0.64) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL4384741 0.78 ADORA2B (0.64) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL7744388 0.78 ADORA2B (0.97) ADORA2BPDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL258898 0.77 ADORA2B (0.62) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL7738354 0.77 ADORA2B (1.00) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL21381240 0.77 ADORA2B (0.94) ADORA2BPDE4APDE4BPDE4CPDE4D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371216-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2014-12-18 US disclosed
US-8703783-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2014-04-22 US disclosed
US-20120035172-A1 Purinone Derivatives as HM74A Agonists INCYTE CORPORATION (US) 2012-02-09 US disclosed
EP-2044074-A2 PURINONE DERIVATIVES AS HM74A AGONISTS Incyte Corporation (US) 2009-04-08 EP disclosed
US-7511050-B2 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders INCYTE CORPORATION (US) 2009-03-31 US disclosed
US-20080045554-A1 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders INCYTE CORPORATION (US) 2008-02-21 US disclosed
WO-2007150025-A2 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2007-12-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140371216-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A ADORA2B 68/4885PNP 1193/4885PDE4A 158/4885
US-20120035172-A1 Purinone Derivatives as HM74A Agonists GPR84, P2RY1, ADRA1A ADORA2B 68/4885PNP 1193/4885PDE4A 158/4885
US-20080045554-A1 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders HMGCR, LDLR, GPBAR1 ADORA2B 177/4885PNP 886/4885PDE4A 1160/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.